Geometry & MOs

Info

ID:	259792
PubChem CID:	103174586
Reduced:	ClOF3N3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	242.083747
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	3.85
IP(EA), eV:	-9.82(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxypyridin-2-yl)methyl N'-aminocarbamimidothioate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=NC(=NC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations